tert-butyl 2-[(4-bromophenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

Systemtic Name: tert-butyl 2-[(4-bromophenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 2-[(4-bromophenyl)carbamothioylamino]-3-tert-butoxy-propanoate CAS Name: 2-[[(4-bromoanilino)-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-bromophenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 2-[(4-bromophenyl)thiocarbamoylamino]-3-tert-butoxy-propionic acid tert-butyl ester Formula: C18H27BrN2O3S MolecularWeight: 431.38758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NC1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NC1=CC=C(C=C1)Br

InChI

InChI=1S/C18H27BrN2O3S/c1-17(2,3)23-11-14(15(22)24-18(4,5)6)21-16(25)20-13-9-7-12(19)8-10-13/h7-10,14H,11H2,1-6H3,(H2,20,21,25)